5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C29H31N5O2 — CID 26136700

IUPAC5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESC/C(=C\c1ccco1)CN1CCc2c(c(C(=O)NCc3ccccn3)nn2CCc2ccccc2)C1
InChIInChI=1S/C29H31N5O2/c1-22(18-25-11-7-17-36-25)20-33-15-13-27-26(21-33)28(29(35)31-19-24-10-5-6-14-30-24)32-34(27)16-12-23-8-3-2-4-9-23/h2-11,14,17-18H,12-13,15-16,19-21H2,1H3,(H,31,35)/b22-18+
InChIKeyGNBVEHSATRWZDR-RELWKKBWSA-N
MW481.60 g/mol
LogP4.51
Rot. Bonds9

About 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26136700) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26136700
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC Name5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESC/C(=C\c1ccco1)CN1CCc2c(c(C(=O)NCc3ccccn3)nn2CCc2ccccc2)C1
InChIInChI=1S/C29H31N5O2/c1-22(18-25-11-7-17-36-25)20-33-15-13-27-26(21-33)28(29(35)31-19-24-10-5-6-14-30-24)32-34(27)16-12-23-8-3-2-4-9-23/h2-11,14,17-18H,12-13,15-16,19-21H2,1H3,(H,31,35)/b22-18+
InChIKeyGNBVEHSATRWZDR-RELWKKBWSA-N
XLogP4.51
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26136700) is 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is C/C(=C\c1ccco1)CN1CCc2c(c(C(=O)NCc3ccccn3)nn2CCc2ccccc2)C1.
What is the InChIKey of 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is GNBVEHSATRWZDR-RELWKKBWSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-22(18-25-11-7-17-36-25)20-33-15-13-27-26(21-33)28(29(35)31-19-24-10-5-6-14-30-24)32-34(27)16-12-23-8-3-2-4-9-23/h2-11,14,17-18H,12-13,15-16,19-21H2,1H3,(H,31,35)/b22-18+.
What are the key properties of 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26136700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).